1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide

C34H31IN8O3 — CID 156871814

IUPAC1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide
SMILES[H]/N=C(/C(=O)c1cccn(-c2ccc(I)cc2)c1=O)c1ccc(Oc2ccnc3cnc(N/C(=N/[H])C4CCN(CC)CC4)cc23)cn1
InChIInChI=1S/C34H31IN8O3/c1-2-42-16-12-21(13-17-42)33(37)41-30-18-26-28(20-40-30)38-14-11-29(26)46-24-9-10-27(39-19-24)31(36)32(44)25-4-3-15-43(34(25)45)23-7-5-22(35)6-8-23/h3-11,14-15,18-21,36H,2,12-13,16-17H2,1H3,(H2,37,40,41)/b36-31+
InChIKeyONVRJJGIXQPIMZ-XKMRCYARSA-N
MW726.58 g/mol
LogP5.94
Rot. Bonds9

About 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide

1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide (PubChem CID 156871814) has the molecular formula C34H31IN8O3 and a molecular weight of 726.58 g/mol. Its IUPAC name is 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide
PubChem CID156871814
Molecular FormulaC34H31IN8O3
Molecular Weight726.58 g/mol
Exact Mass726.16
IUPAC Name1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide
SMILES[H]/N=C(/C(=O)c1cccn(-c2ccc(I)cc2)c1=O)c1ccc(Oc2ccnc3cnc(N/C(=N/[H])C4CCN(CC)CC4)cc23)cn1
InChIInChI=1S/C34H31IN8O3/c1-2-42-16-12-21(13-17-42)33(37)41-30-18-26-28(20-40-30)38-14-11-29(26)46-24-9-10-27(39-19-24)31(36)32(44)25-4-3-15-43(34(25)45)23-7-5-22(35)6-8-23/h3-11,14-15,18-21,36H,2,12-13,16-17H2,1H3,(H2,37,40,41)/b36-31+
InChIKeyONVRJJGIXQPIMZ-XKMRCYARSA-N
XLogP5.94
TPSA149.94 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.58
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871849
1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 156871776
1-(4-fluorophenyl)-N-[4-[[6-(4-methylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 156871742
N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871804
4-[[6-[[1-(4-fluorophenyl)-2-oxo-5-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-piperidin-4-yl-1,7-naphthyridine-6-carboxamide
CID 156871690
N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871762
4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide
CID 156871758
1-(4-ethoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82121141
4-[4-[(5-ethyl-1-methyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
CID 166779782
N-[2-chloro-4-[[5-(3-cyanopropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide;N-[2-chloro-4-[[5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 163930577
4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
CID 156871685
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide
CID 122632980

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide?
The IUPAC name of 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide (CID 156871814) is 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide.
What is the SMILES notation for 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide?
The canonical SMILES for 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide is [H]/N=C(/C(=O)c1cccn(-c2ccc(I)cc2)c1=O)c1ccc(Oc2ccnc3cnc(N/C(=N/[H])C4CCN(CC)CC4)cc23)cn1.
What is the InChIKey of 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide?
The InChIKey is ONVRJJGIXQPIMZ-XKMRCYARSA-N. The full InChI is InChI=1S/C34H31IN8O3/c1-2-42-16-12-21(13-17-42)33(37)41-30-18-26-28(20-40-30)38-14-11-29(26)46-24-9-10-27(39-19-24)31(36)32(44)25-4-3-15-43(34(25)45)23-7-5-22(35)6-8-23/h3-11,14-15,18-21,36H,2,12-13,16-17H2,1H3,(H2,37,40,41)/b36-31+.
What are the key properties of 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide?
1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide has a molecular weight of 726.58 g/mol, XLogP of 5.94, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide is sourced from PubChem (CID 156871814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).